{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.61879 2.030613 1.31449 ] [ 0.5326459 2.599792 1.87087 ] [ 1.791863 1.569063 3.307142 ] [ 2.645053 4.244738 2.416375 ] [ 4.072939 1.030921 3.139936 ] [ 4.500349 3.153395 1.645552 ] [ 3.28786 3.426147 4.164789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61879e-10 2.030613e-10 1.31449e-10 ] [ 5.326459000000001e-11 2.599792e-10 1.87087e-10 ] [ 1.791863e-10 1.569063e-10 3.307142e-10 ] [ 2.645053e-10 4.244738e-10 2.416375e-10 ] [ 4.072939e-10 1.030921e-10 3.139936e-10 ] [ 4.500349e-10 3.153395e-10 1.645552e-10 ] [ 3.28786e-10 3.426147e-10 4.164789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.585767 -1.6018139 -3.6825027 ] [ -1.6981756 1.3580951 -0.9022433 ] [ -0.2200464 -1.8731463 4.1995683 ] [ -2.4310341 3.4408073 -4.068159 ] [ -0.2367738 1.2320023 -0.3907365 ] [ 2.1241303 0.0863332 0.4792184 ] [ 1.8761327 -2.6422777 4.3648548 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.385021926361537e-10 -2.566388781452469e-09 -5.900019731972877e-09 ] [ -2.720777244333012e-09 2.175908218043038e-09 -1.445553121533441e-09 ] [ -3.525531975712051e-10 -3.001111209198023e-09 6.728450147712801e-09 ] [ -3.894945999387569e-09 5.512781012737973e-09 -6.517909239497107e-09 ] [ -3.79353446777975e-10 1.973885281831828e-09 -6.260288851932192e-10 ] [ 3.40323190619289e-09 1.383210346388506e-10 7.677925167371827e-10 ] [ 3.00589594945838e-09 -4.233395556601197e-09 6.99326831374666e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.910088158928929 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.469005075102845e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.649817 1.8841689 1.1425409 ] [ 0.5702793 2.7528375 1.8538651 ] [ 1.7626911 1.5839332 3.5764097 ] [ 2.4077808 4.2560879 2.199072 ] [ 4.0494105 1.1162355 3.0170941 ] [ 4.5586072 3.2254828 1.9299108 ] [ 3.4509139 3.2359232 4.1402615 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.649817e-10 1.8841689e-10 1.1425409e-10 ] [ 5.702793000000001e-11 2.7528375e-10 1.8538651e-10 ] [ 1.7626911e-10 1.5839332e-10 3.5764097e-10 ] [ 2.4077808e-10 4.2560879e-10 2.199072e-10 ] [ 4.0494105e-10 1.1162355e-10 3.0170941e-10 ] [ 4.5586072e-10 3.2254828e-10 1.9299108e-10 ] [ 3.4509139e-10 3.2359232e-10 4.1402615e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.3e-06 9.4e-06 1.72e-05 ] [ -4.44e-05 4.9e-06 -3.3e-06 ] [ 2.9e-05 -3e-07 -2.32e-05 ] [ -4e-07 -1.9e-06 -1.77e-05 ] [ -4.6e-06 1.63e-05 1.89e-05 ] [ 1.32e-05 -5.6e-06 1e-06 ] [ 8.5e-06 -2.28e-05 7.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.08282960704e-15 1.506046023552e-14 2.755743787776e-14 ] [ -7.113664196352e-14 7.850665441919999e-15 -5.28718284864e-15 ] [ 4.64631220032e-14 -4.8065298624e-16 -3.717049760256e-14 ] [ -6.408706483200001e-16 -3.04413557952e-15 -2.835852618816e-14 ] [ -7.370012455680001e-15 2.611547891904e-14 3.028113813312e-14 ] [ 2.114873139456e-14 -8.972189076479999e-15 1.6021766208e-15 ] [ 1.36185012768e-14 -3.652962695424e-14 1.153567166976e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.103202158928926 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.298276105265201e-18 } }